N'-(2-ethyl-6-methylphenyl)butanediamide

C13H18N2O2 — CID 82041304

IUPACN'-(2-ethyl-6-methylphenyl)butanediamide
SMILESCCc1cccc(C)c1NC(=O)CCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-3-10-6-4-5-9(2)13(10)15-12(17)8-7-11(14)16/h4-6H,3,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVYNKIGOOJUGBOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds5

About N'-(2-ethyl-6-methylphenyl)butanediamide

N'-(2-ethyl-6-methylphenyl)butanediamide (PubChem CID 82041304) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)butanediamide
PubChem CID82041304
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-(2-ethyl-6-methylphenyl)butanediamide
SMILESCCc1cccc(C)c1NC(=O)CCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-3-10-6-4-5-9(2)13(10)15-12(17)8-7-11(14)16/h4-6H,3,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVYNKIGOOJUGBOK-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
benzyl 4-(2-ethyl-6-methylanilino)-4-oxobutanoate
CID 924791
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)butanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)butanediamide (CID 82041304) is N'-(2-ethyl-6-methylphenyl)butanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)butanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)butanediamide is CCc1cccc(C)c1NC(=O)CCC(N)=O.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)butanediamide?
The InChIKey is VYNKIGOOJUGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-10-6-4-5-9(2)13(10)15-12(17)8-7-11(14)16/h4-6H,3,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(2-ethyl-6-methylphenyl)butanediamide?
N'-(2-ethyl-6-methylphenyl)butanediamide has a molecular weight of 234.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)butanediamide is sourced from PubChem (CID 82041304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).